0 mol 1 unq 0 iso 0 dist 9.30501 5.96722 7.81034 8.76084 9.21329 4.93091 numMergedOcc 0
1 mol 2 unq 0 iso 0 dist 7.12914 8.26052 6.47123 11.3806 8.3726 4.00237 numMergedOcc 0
2 mol 5 unq 0 iso 0 dist 6.40459 4.69173 6.70655 8.35174 8.64744 3.67097 numMergedOcc 0
3 mol 5 unq 1 iso 0 dist 8.58084 11.6381 6.70655 15.05 8.64744 3.67097 numMergedOcc 0
4 mol 17 unq 0 iso 0 dist 7.66522 5.73747 6.3896 8.77993 8.90155 5.09467 numMergedOcc 0
5 mol 17 unq 1 iso 0 dist 8.49309 7.10327 6.3896 4.43871 8.90155 5.09467 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 7.85354 12.9815 5.73363 15.9898 9.54171 4.10415 numMergedOcc 0
7 mol 26 unq 1 iso 0 dist 6.85245 12.1626 6.67455 12.9455 6.70325 3.30063 numMergedOcc 0
8 mol 26 unq 2 iso 0 dist 6.85245 14.2372 9.2772 12.9455 6.70325 6.79894 numMergedOcc 0
9 mol 26 unq 3 iso 0 dist 8.43571 7.53125 6.67455 5.34406 6.70325 3.30063 numMergedOcc 0
10 mol 26 unq 4 iso 0 dist 8.43571 9.31749 9.2772 5.34406 6.70325 6.79894 numMergedOcc 0
11 mol 37 unq 0 iso 0 dist 7.83092 7.06257 7.17889 13.3584 9.86496 6.6276 numMergedOcc 0
12 mol 37 unq 1 iso 0 dist 7.83092 6.15799 8.38803 13.3584 9.86496 10.8321 numMergedOcc 0
13 mol 48 unq 0 iso 0 dist 7.4343 6.5214 9.04514 8.68072 8.52681 14.436 numMergedOcc 0
14 mol 48 unq 1 iso 0 dist 7.4343 6.5214 9.04514 6.69623 9.98769 12.7654 numMergedOcc 0
15 mol 48 unq 2 iso 0 dist 7.05327 6.41876 9.14072 6.79361 9.40291 12.884 numMergedOcc 0
16 mol 48 unq 3 iso 0 dist 7.05327 6.41876 9.14072 8.81303 7.94814 14.5015 numMergedOcc 0
17 mol 48 unq 4 iso 0 dist 7.05327 6.41876 9.14072 10.5726 9.55632 16.2483 numMergedOcc 0
18 mol 81 unq 0 iso 0 dist 8.61295 4.79903 9.80754 3.71214 8.57764 5.82911 numMergedOcc 0
19 mol 83 unq 0 iso 0 dist 7.6104 10.5201 6.77845 11.4698 5.13041 5.31562 numMergedOcc 0
20 mol 83 unq 1 iso 0 dist 7.6104 7.36012 5.48555 11.4698 5.13041 8.56578 numMergedOcc 0
21 mol 83 unq 2 iso 0 dist 7.6104 12.5239 5.39805 11.4698 5.13041 3.7497 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 6.29879 9.45934 6.9268 9.60776 8.98028 8.4707 numMergedOcc 0
23 mol 133 unq 1 iso 0 dist 6.29879 5.10912 8.19166 9.60776 8.98028 6.42838 numMergedOcc 0
24 mol 159 unq 0 iso 0 dist 9.5915 9.93454 7.52779 4.86107 8.61788 10.3725 numMergedOcc 0
25 mol 167 unq 0 iso 0 dist 6.26373 6.01114 6.28957 4.03388 7.20131 3.92405 numMergedOcc 0
26 mol 167 unq 1 iso 0 dist 6.26373 9.04662 7.34285 4.03388 7.20131 6.18329 numMergedOcc 0
27 mol 167 unq 2 iso 0 dist 5.32056 9.2968 9.63473 6.25024 7.84707 3.86842 numMergedOcc 0
28 mol 167 unq 3 iso 0 dist 5.32056 5.79787 8.39087 6.25024 7.84707 3.72502 numMergedOcc 0
29 mol 167 unq 4 iso 0 dist 9.74227 6.87303 9.63473 7.95112 7.84707 3.86842 numMergedOcc 0
30 mol 167 unq 5 iso 0 dist 9.74227 11.0118 8.39087 7.95112 7.84707 3.72502 numMergedOcc 0
31 mol 168 unq 0 iso 0 dist 9.01437 10.8619 5.60956 8.3462 5.64732 3.56227 numMergedOcc 0
32 mol 168 unq 1 iso 0 dist 9.01437 10.8619 5.60956 10.7396 5.52214 3.96437 numMergedOcc 0
33 mol 168 unq 2 iso 0 dist 9.01437 10.8619 5.60956 14.5581 5.80055 6.15982 numMergedOcc 0
34 mol 168 unq 3 iso 0 dist 9.01437 10.8619 5.60956 15.2349 7.44481 5.33789 numMergedOcc 0
35 mol 168 unq 4 iso 0 dist 9.6856 12.8199 5.60956 13.7178 5.64732 3.56227 numMergedOcc 0
36 mol 168 unq 5 iso 0 dist 9.6856 12.8199 5.60956 9.33959 5.52214 3.96437 numMergedOcc 0
37 mol 168 unq 6 iso 0 dist 9.6856 12.8199 5.60956 12.7604 5.80055 6.15982 numMergedOcc 0
38 mol 168 unq 7 iso 0 dist 9.6856 12.8199 5.60956 12.9313 7.44481 5.33789 numMergedOcc 0
39 mol 173 unq 0 iso 0 dist 8.68755 8.12636 6.60418 5.04699 9.19939 11.5164 numMergedOcc 0
40 mol 225 unq 0 iso 0 dist 9.99717 10.8621 6.97662 5.01976 6.35772 7.99586 numMergedOcc 0
41 mol 232 unq 0 iso 0 dist 8.64213 7.23426 9.82645 3.83464 5.86945 5.28999 numMergedOcc 0
